ChemSpider 2D Image | 5-{[(3,5-Difluorophenyl)amino]methyl}-3-thiophenecarbonitrile | C12H8F2N2S

5-{[(3,5-Difluorophenyl)amino]methyl}-3-thiophenecarbonitrile

  • Molecular FormulaC12H8F2N2S
  • Average mass250.267 Da
  • Monoisotopic mass250.037628 Da
  • ChemSpider ID36206949

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Thiophenecarbonitrile, 5-[[(3,5-difluorophenyl)amino]methyl]- [ACD/Index Name]
5-{[(3,5-Difluorophenyl)amino]methyl}-3-thiophenecarbonitrile [ACD/IUPAC Name]
5-{[(3,5-Difluorophényl)amino]méthyl}-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
5-{[(3,5-Difluorphenyl)amino]methyl}-3-thiophencarbonitril [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 376.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 181.7±27.9 °C
Index of Refraction: 1.598
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.50
ACD/KOC (pH 5.5): 2026.90
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.56
ACD/KOC (pH 7.4): 2027.32
Polar Surface Area: 64 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 183.8±5.0 cm3

Click to predict properties on the Chemicalize site


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